Potassium Cation → (5-{2-[(N-tert-butoxycarbonyl-N-ethyl-amino)-methyl]-4-trifluoromethyl-phenyl}-pyridin-3-yl)-acetic acid methyl ester

HRID 2312781Notes

Reaction equation

HRID 2312781 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][c:9]1[c:10]([B:19]2[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]2)[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]1)[CH2:28][CH3:29])=[O:30].[C:43](=[O:44])([O-:45])[O-:46].[CH3:31][O:32][C:33]([CH2:34][c:35]1[cH:36][n:37][cH:38][c:39]([Br:41])[cH:40]1)=[O:42].[CH3:49][O:50][CH2:51][CH2:52][O:53][CH3:54].[K+:47].[K+:48].[OH2:55].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][c:9]1[c:10](-[c:39]2[cH:38][n:37][cH:36][c:35]([CH2:34][C:33]([O:32][CH3:31])=[O:42])[cH:40]2)[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]1)[CH2:28][CH3:29])=[O:30]

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 23398394Methyl 2-(5-bromopyridin-3-yl)acetateHCID 67212456Ethyl-[2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoromethyl-benzyl]-carbamic acid tert-butyl esterHCID 178420554HCID 178420554, compound

Product 1

HCID 67212420(5-{2-[(N-tert-butoxycarbonyl-N-ethyl-amino)-methyl]-4-trifluoromethyl-phenyl}-pyridin-3-yl)-acetic acid methyl ester

Sources & evidence

ORD record
ord-e552aacae4394de089c22b424ccad53d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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